UCSF

ZINC67563116

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 27 Yes

Popular Name: 3-(4-chlorophenyl)-5-[(3,4-dimethoxy-2-pyridyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine 3-(4-chlorophenyl)-5-[(3,4-dimet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 6.25 -10.27 1 6 0 63 384.867 5 ↓
Mid Mid (pH 6-8) 3.09 6.47 -43.16 2 6 1 65 385.875 5 ↓
Lo Low (pH 4.5-6) 3.09 8.46 -38.92 2 6 1 64 385.875 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.